5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C52H33GeN3S — CID 140805619

IUPAC5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-16-34(17-5-1)49-48-41-23-10-13-25-43(41)53(36-18-6-2-7-19-36,37-20-8-3-9-21-37)51(48)55-52(54-49)35-28-30-38(31-29-35)56-44-26-14-11-24-42(44)47-45(56)33-32-40-39-22-12-15-27-46(39)57-50(40)47/h1-33H
InChIKeySJCAQPRCHZBSEF-UHFFFAOYSA-N
MW804.53 g/mol
LogP10.63
Rot. Bonds5

About 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140805619) has the molecular formula C52H33GeN3S and a molecular weight of 804.53 g/mol. Its IUPAC name is 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID140805619
Molecular FormulaC52H33GeN3S
Molecular Weight804.53 g/mol
Exact Mass805.16
IUPAC Name5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3S/c1-4-16-34(17-5-1)49-48-41-23-10-13-25-43(41)53(36-18-6-2-7-19-36,37-20-8-3-9-21-37)51(48)55-52(54-49)35-28-30-38(31-29-35)56-44-26-14-11-24-42(44)47-45(56)33-32-40-39-22-12-15-27-46(39)57-50(40)47/h1-33H
InChIKeySJCAQPRCHZBSEF-UHFFFAOYSA-N
XLogP10.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.53
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-[4-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140805389
12-[3-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805957
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805366
5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140804929
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,9,9-triphenyl-4-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 158105058
4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 157050001
5-[4-(4,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140805821
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
11-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 140805675
4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine
CID 140804880
4,9,9-triphenyl-2-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805894
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 140805619) is 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is SJCAQPRCHZBSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33GeN3S/c1-4-16-34(17-5-1)49-48-41-23-10-13-25-43(41)53(36-18-6-2-7-19-36,37-20-8-3-9-21-37)51(48)55-52(54-49)35-28-30-38(31-29-35)56-44-26-14-11-24-42(44)47-45(56)33-32-40-39-22-12-15-27-46(39)57-50(40)47/h1-33H.
What are the key properties of 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 804.53 g/mol, XLogP of 10.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140805619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).